N-(1-adamantylmethyl)-4-iodanyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-4-iodanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-iodo-2-methyl-pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-4-iodo-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-iodo-2-methylpyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-iodo-2-methyl-pyrazole-3-carboxamide Formula: C16H22IN3O MolecularWeight: 399.26985

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)I)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H22IN3O/c1-20-14(13(17)8-19-20)15(21)18-9-16-5-10-2-11(6-16)4-12(3-10)7-16/h8,10-12H,2-7,9H2,1H3,(H,18,21)